4-(4-methoxy-2-methylphenyl)sulfonyl-2,2,6-trimethylmorpholine

C15H23NO4S — CID 48629627

IUPAC4-(4-methoxy-2-methylphenyl)sulfonyl-2,2,6-trimethylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)OC(C)(C)C2)c(C)c1
InChIInChI=1S/C15H23NO4S/c1-11-8-13(19-5)6-7-14(11)21(17,18)16-9-12(2)20-15(3,4)10-16/h6-8,12H,9-10H2,1-5H3
InChIKeyXIVQTLGFNFVCKI-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.19
Rot. Bonds3

About 4-(4-methoxy-2-methylphenyl)sulfonyl-2,2,6-trimethylmorpholine

4-(4-methoxy-2-methylphenyl)sulfonyl-2,2,6-trimethylmorpholine (PubChem CID 48629627) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-(4-methoxy-2-methylphenyl)sulfonyl-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name4-(4-methoxy-2-methylphenyl)sulfonyl-2,2,6-trimethylmorpholine
PubChem CID48629627
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name4-(4-methoxy-2-methylphenyl)sulfonyl-2,2,6-trimethylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2CC(C)OC(C)(C)C2)c(C)c1
InChIInChI=1S/C15H23NO4S/c1-11-8-13(19-5)6-7-14(11)21(17,18)16-9-12(2)20-15(3,4)10-16/h6-8,12H,9-10H2,1-5H3
InChIKeyXIVQTLGFNFVCKI-UHFFFAOYSA-N
XLogP2.19
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 47304289
1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 119981951
2,6-difluoro-3-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
CID 107343465
1-(2-methoxyethyl)-4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylpiperazine
CID 110290267
4-(benzenesulfonyl)-2,2,6-trimethylmorpholine
CID 47429979
[4-(2,4-dimethylphenyl)sulfonyl-6,6-dimethylmorpholin-2-yl]methanamine
CID 114782183
4-(2,4-dimethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 19682685
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine
CID 110658354
4-(4-ethylsulfonylphenyl)sulfonyl-2,2,6-trimethylmorpholine
CID 48629637
1-(4-methoxy-2-methylphenyl)sulfonyl-2,4-dimethylpiperazine
CID 110707842
4-(4-methoxy-2-methylphenyl)sulfonyl-1,3-dimethylpiperazin-2-one
CID 110708313
2-fluoro-4-(2,2,6-trimethylmorpholin-4-yl)sulfonylaniline
CID 82843726

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2-methylphenyl)sulfonyl-2,2,6-trimethylmorpholine?
The IUPAC name of 4-(4-methoxy-2-methylphenyl)sulfonyl-2,2,6-trimethylmorpholine (CID 48629627) is 4-(4-methoxy-2-methylphenyl)sulfonyl-2,2,6-trimethylmorpholine.
What is the SMILES notation for 4-(4-methoxy-2-methylphenyl)sulfonyl-2,2,6-trimethylmorpholine?
The canonical SMILES for 4-(4-methoxy-2-methylphenyl)sulfonyl-2,2,6-trimethylmorpholine is COc1ccc(S(=O)(=O)N2CC(C)OC(C)(C)C2)c(C)c1.
What is the InChIKey of 4-(4-methoxy-2-methylphenyl)sulfonyl-2,2,6-trimethylmorpholine?
The InChIKey is XIVQTLGFNFVCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11-8-13(19-5)6-7-14(11)21(17,18)16-9-12(2)20-15(3,4)10-16/h6-8,12H,9-10H2,1-5H3.
What are the key properties of 4-(4-methoxy-2-methylphenyl)sulfonyl-2,2,6-trimethylmorpholine?
4-(4-methoxy-2-methylphenyl)sulfonyl-2,2,6-trimethylmorpholine has a molecular weight of 313.42 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2-methylphenyl)sulfonyl-2,2,6-trimethylmorpholine is sourced from PubChem (CID 48629627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).